Related papers: Determination of ferroelectric compositional phase…
Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypical example, with decades of investigation having connected…
Phase diagram of solid solutions of antiferroelectric and ferroelectric materials like PbZr$_{1-x}$Ti$_x$O$_3$ (PZT), Rb$_x$(NH$_4$)$_{1-x}$H$_2$PO$% _4$ (RADP) is calculated at the region $x\leq 0.1$. Antiferroelectric and ferroelectric…
Experimental investigations of the phase transition in GeTe provide contradictory conclusions regarding the nature of the phase transition. Considering growing interest in technological applications of GeTe, settling these disputes is of…
A combined study of transport, thermodynamic, neutron diffraction, nuclear magnetic resonance measurements and first principles calculation were performed for $\beta$-V$_2$PO$_5$ single crystal. It was shown to be a semiconductor with a…
The switching polarization of a ferroelectric is a characterization of the current that flows due to changes in polarization when the system is switched between two states. Computation of this change in polarization in crystal systems has…
We develop a first-principles scheme to study ferroelectric phase transitions for perovskite compounds. We obtain an effective Hamiltonian which is fully specified by first-principles ultra-soft pseudopotential calculations. This approach…
Organic molecular ferroelectrics, including organic proton-transfer ferroelectrics and antiferroelectrics, are potentially attractive in organic electronics and have significant chemical tunability. Among these, acid-base proton transfer…
Monte Carlo simulations are used to examine cooperative creation of polar state in fluids of two-state particles with nonzero dipole in the excited state. With lowering temperature such systems undergo a second order transition from…
The compositional diffusional-trajectories for a phase separation of gamma(f.c.c.)/gamma-prime(L12) phases are studied in a quaternary Ni-10Al-8.5Cr-2Re alloy, aged at 700 deg.C for 0 to 1024 h, utilizing atom-probe tomography (APT). As the…
Dielectric spectroscopy of $SrTiO_3$ single crystal over a broad range of microwave frequency using quasi $TE_{m,1,1}$ and quasi $TM_{m,1,1}$ modes reveals crystal asymmetry from typical measurement of $Q$-factor, transmission or frequency…
We suggest a random field based model for calculation of physical properties of mixed ferroelectric relaxors. Our model naturally incorporates the different orientations of electric dipoles (related to different solid solution components)…
In a recent class of phase field crystal (PFC) models, the density order parameter is coupled to powers of its mean field. This effectively introduces a phenomenology of higher-order direct correlation functions acting on long wavelengths,…
The neutral-to-ionic phase transition in the mixed-stack charge-transfer complex tetrathiafulvalene-p-chloranil (TTF-CA) has been studied by pressure-dependent infrared spectroscopy up to p=11 kbar and down to low temperatures, T = 10 K. By…
The variational cluster approach (VCA) based on the self-energy functional theory is applied to the two-dimensional symmetric periodic Anderson model at half filling. We calculate a variety of physical quantities including the staggered…
As a possible mechanism of the $\gamma-\alpha$ phase transition in pristine cerium a change of the electronic density from a disordered state with symmetry Fm-3m to an ordered state Pa-3 has been proposed. Here we include on-site and inter-…
Phase-transforming pyroelectric materials have emerged as promising candidates for low-grade thermal energy harvesting. However, whether first-order transformations with large pyroelectric coefficient or second-order transformations with…
Ferroelectric nematic liquid crystals represent not only interesting fundamental science, but they also hold promise for storage capacitors with high power density or new information display technology having sub-millisecond switching. In…
A four-state model is proposed for description of the sequence of phase transitions in ferroelectric crystals of DMAGaS and DMAAlS type. The ordering processes in the subsystems of DMA groups are considered as a main reason of such…
Polycrystalline sample of (Ba_{0.90}Pb_{0.10})(Ti_{0.90}Sn_{0.10})O_3 was obtained by means of a conventional ceramic technology. The dielectric measurements were performed depending on temperature and frequency of electric measuring field.…
Mysterious high temperature structureless transitions in (TMTTF)2X compounds have been discovered in mid 80's (Coulon, Lawersanne,vet al), but left unexplained and abandoned, together with other warnings from structural effects (Moret,…